(E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine

C7H15NO2S — CID 118584300

IUPAC(E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine
SMILESCCN(C)C/C=C/S(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-4-8(2)6-5-7-11(3,9)10/h5,7H,4,6H2,1-3H3/b7-5+
InChIKeyBKTVCNDXNVHRFC-FNORWQNLSA-N
MW177.27 g/mol
LogP0.50
Rot. Bonds4

About (E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine

(E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine (PubChem CID 118584300) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine
PubChem CID118584300
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine
SMILESCCN(C)C/C=C/S(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-4-8(2)6-5-7-11(3,9)10/h5,7H,4,6H2,1-3H3/b7-5+
InChIKeyBKTVCNDXNVHRFC-FNORWQNLSA-N
XLogP0.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine?
The IUPAC name of (E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine (CID 118584300) is (E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine?
The canonical SMILES for (E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine is CCN(C)C/C=C/S(C)(=O)=O.
What is the InChIKey of (E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine?
The InChIKey is BKTVCNDXNVHRFC-FNORWQNLSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-4-8(2)6-5-7-11(3,9)10/h5,7H,4,6H2,1-3H3/b7-5+.
What are the key properties of (E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine?
(E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine has a molecular weight of 177.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-methyl-3-methylsulfonylprop-2-en-1-amine is sourced from PubChem (CID 118584300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).